2-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(3-isoamyl-4-keto-quinazolin-2-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C20H20N4O2S2/c1-12(2)7-9-24-19(26)13-5-3-4-6-14(13)22-20(24)28-11-16-21-15-8-10-27-17(15)18(25)23-16/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,21,23,25)